Prédiction et détermination expérimentale des propriétés thermodynamiques et thermophysiques : solubilité, coefficient de partage, densité, vitesse du son et indice de réfraction.

Abstract

This thesis deals with the Thermodynamic and Thermophysical properties of some pure compounds and mixtures used in the pharmaceutical, medical and industrial fields. Concerning the thermodynamic properties, we have determined: The solubilities of benzoic acid, salicylic acid, resorcinol and hydroquinone in water and in 1-octanol by the dynamic method (synthetic method). Using a differential scanning calorimeter (DSC), and the melting temperature as well as the enthalpy of fusion of these solutes were determined. Experimental solubilities were correlated using two regression equations. Also, validation was done of the experiment with different models namely UNIFAC (Do), UNIFAC-NIST, NRTL, and UNIQUAC, and it became obvious that each of the models is suitable for a given binary mixture solubility for a given temperature range. The partition coefficient using the shake flask method and UV-vis spectrophotometer. The octanol-water partition coefficient, which is an estimated parameter of bioaccumulation in living organisms. Concerning the Thermophysical properties: A digital vibrating-tube densimeter and sound velocity analyzer (Anton Paar DSA 5000M) with an accuracy of ±0.02 K in temperature were used to measure the density and speed of sound for the pure components and their binary mixtures containing the 2PhEE with following alcohols: 1-propanol, 2-propanol, 1-butanol and 2-butanol. The refractive indices of the pure liquids used in the present work were measured using an Abbe digital refractometer (Model Abbemat 300, Anton Paar), with an accuracy of ±0.02 K in temperature. The measured values of the refractive indices using the method and apparatus were estimated to be ±0.005 of their true values. Also, the experimental speeds of sound data in the present investigated mixtures were compared with various theoretical models like Nomoto, Van Deal, impedance and Rao, to check their relative merits of pure component properties.